tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate

C15H29N3O6S — CID 163274972

IUPACtert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCCC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O6S/c1-14(2,3)23-12(19)17-25(21,22)16-8-7-11-9-18(10-11)13(20)24-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyLQLTXVSPYNWIAS-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.60
Rot. Bonds5

About tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate

tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate (PubChem CID 163274972) has the molecular formula C15H29N3O6S and a molecular weight of 379.48 g/mol. Its IUPAC name is tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate
PubChem CID163274972
Molecular FormulaC15H29N3O6S
Molecular Weight379.48 g/mol
Exact Mass379.18
IUPAC Nametert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCCC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O6S/c1-14(2,3)23-12(19)17-25(21,22)16-8-7-11-9-18(10-11)13(20)24-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyLQLTXVSPYNWIAS-UHFFFAOYSA-N
XLogP1.60
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
CID 166071281
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
CID 155097474
tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238693
tert-butyl 3-(butylaminomethyl)azetidine-1-carboxylate
CID 71304630
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
CID 153328230
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate (CID 163274972) is tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)NS(=O)(=O)NCCC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate?
The InChIKey is LQLTXVSPYNWIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O6S/c1-14(2,3)23-12(19)17-25(21,22)16-8-7-11-9-18(10-11)13(20)24-15(4,5)6/h11,16H,7-10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate?
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate has a molecular weight of 379.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate is sourced from PubChem (CID 163274972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).